1-(4-benzylpiperazin-1-yl)-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone

C22H27N3OS — CID 92875216

IUPAC1-(4-benzylpiperazin-1-yl)-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone
SMILESC[C@@H]1CN(CC(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc2S1
InChIInChI=1S/C22H27N3OS/c1-18-15-25(20-9-5-6-10-21(20)27-18)17-22(26)24-13-11-23(12-14-24)16-19-7-3-2-4-8-19/h2-10,18H,11-17H2,1H3/t18-/m1/s1
InChIKeyACKYGEPQLSDMMM-GOSISDBHSA-N
MW381.55 g/mol
LogP3.33
Rot. Bonds4

About 1-(4-benzylpiperazin-1-yl)-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone

1-(4-benzylpiperazin-1-yl)-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone (PubChem CID 92875216) has the molecular formula C22H27N3OS and a molecular weight of 381.55 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone
PubChem CID92875216
Molecular FormulaC22H27N3OS
Molecular Weight381.55 g/mol
Exact Mass381.19
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone
SMILESC[C@@H]1CN(CC(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc2S1
InChIInChI=1S/C22H27N3OS/c1-18-15-25(20-9-5-6-10-21(20)27-18)17-22(26)24-13-11-23(12-14-24)16-19-7-3-2-4-8-19/h2-10,18H,11-17H2,1H3/t18-/m1/s1
InChIKeyACKYGEPQLSDMMM-GOSISDBHSA-N
XLogP3.33
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.55
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-benzylpiperazin-1-yl)-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone with MolForge

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Related Compounds

2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 46352640
N,N-diethyl-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
CID 46352636
2-(2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 46352691
1-(4-benzylpiperazin-1-yl)-2-(3-methylpiperidin-1-yl)ethanone
CID 109002007
2-(2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 46352700
1-(4-benzylpiperazin-1-yl)-4-(2,3-dihydro-1,4-benzothiazin-4-yl)butane-1,4-dione
CID 56560542
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
N-(1-benzylpiperidin-4-yl)-2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92875411
2-(azepan-1-yl)-1-(4-benzylpiperazin-1-yl)ethanone
CID 109002010
1-(4-benzylpiperazin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942723
4-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]-1,4-benzothiazin-3-one
CID 18157500
1-(4-benzylpiperazin-1-yl)-5-methylhexan-1-one
CID 143244837

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone (CID 92875216) is 1-(4-benzylpiperazin-1-yl)-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone is C[C@@H]1CN(CC(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc2S1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone?
The InChIKey is ACKYGEPQLSDMMM-GOSISDBHSA-N. The full InChI is InChI=1S/C22H27N3OS/c1-18-15-25(20-9-5-6-10-21(20)27-18)17-22(26)24-13-11-23(12-14-24)16-19-7-3-2-4-8-19/h2-10,18H,11-17H2,1H3/t18-/m1/s1.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone?
1-(4-benzylpiperazin-1-yl)-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone has a molecular weight of 381.55 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone is sourced from PubChem (CID 92875216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).